CID 11206736

4-(4-methoxyphenyl)-2-thiophenecarbaldehyde

Structural Information

Molecular Formula
C12H10O2S
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2)C=O
InChI
InChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3
InChIKey
QHFFOHGKCLHHFU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.04015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.047426 145.6
[M+Na]+ 241.029368 155.8
[M-H]- 217.032874 153.5
[M+NH4]+ 236.073973 166.9
[M+K]+ 257.003308 152.2
[M+H-H2O]+ 201.037410 139.8
[M+HCOO]- 263.038351 167.2
[M+CH3COO]- 277.054001 185.2
[M+Na-2H]- 239.014816 147.7
[M]+ 218.03960142 150.2
[M]- 218.04069858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe